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A1BEW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CR5OR8sing1.43Å1.43Å
CR5CR4sing1.53Å1.49Å
OP4P1doub1.48Å1.48Å
O44C43doub1.21Å1.25Å
OR6CR4sing1.44Å1.45Å
OR6CR1sing1.44Å1.40Å
CR4CR3sing1.55Å1.52Å
CR3CR2sing1.55Å1.51Å
CR3OP2sing1.43Å1.42Å
C49C50sing1.51Å1.49Å
C49C48sing1.53Å1.53Å
CR1CR2sing1.54Å1.55Å
CR1NB1sing1.46Å1.44Å
P1OP5sing1.61Å1.49Å
P1OP2sing1.61Å1.62Å
P1OP3sing1.61Å1.59Å
C43N45sing1.35Å1.32Å
C43C42sing1.51Å1.50Å
CB11CB6sing1.51Å1.52Å
N52C50sing1.35Å1.31Å
CPR3CPR2sing1.53Å1.51Å
C50O51doub1.21Å1.23Å
CB7CB6doub1.38Å1.41ÅAromatic
CB7CB8sing1.39Å1.41ÅAromatic
CR2OR7sing1.43Å1.42Å
C47C1Bsing1.53Å1.53Å
CB6CB5sing1.39Å1.41ÅAromatic
OP3CPR2sing1.43Å1.46Å
CPR2CPR1sing1.53Å1.53Å
NB1CB8sing1.38Å1.39ÅAromatic
NB1CB2sing1.36Å1.37ÅAromatic
C42C41sing1.53Å1.52Å
C48C1Csing1.53Å1.55Å
CB8CB9doub1.40Å1.38ÅAromatic
CB2NB3doub1.30Å1.31ÅAromatic
CB5CB10sing1.51Å1.51Å
CB5CB4doub1.37Å1.40ÅAromatic
C1BC1Csing1.52Å1.57Å
C1BC1Asing1.52Å1.51Å
C1BC46sing1.52Å1.54Å
C1CC1Dsing1.52Å1.53Å
CB9CB4sing1.40Å1.39ÅAromatic
CB9NB3sing1.36Å1.40ÅAromatic
C41C8sing1.52Å1.54Å
CPR1N59sing1.46Å1.45Å
O58C57doub1.21Å1.24Å
C10C1Asing1.38Å1.39Å
C10C9doub1.37Å1.38Å
C1AN23doub1.33Å1.35Å
C57N59sing1.35Å1.31Å
C57C56sing1.51Å1.52Å
C8C9sing1.51Å1.52Å
C8C7sing1.52Å1.55Å
C9N22sing1.34Å1.35Å
C1DN23sing1.34Å1.41Å
C1DC1Edoub1.37Å1.38Å
N23CO1sing1.83Å1.92Å
C53C1Esing1.50Å1.52Å
C56C55sing1.53Å1.53Å
C1EC1Fsing1.40Å1.45Å
N22CO1sing1.82Å1.93Å
N22C6doub1.33Å1.40Å
O39C38doub1.21Å1.26Å
CO1N24sing1.80Å1.90Å
CO1N21sing1.82Å1.88Å
CO1C1Lsing1.89Å1.89Å
C7C36sing1.52Å1.52Å
C7C6sing1.52Å1.54Å
C7C37sing1.53Å1.56Å
C1FN24doub1.31Å1.32Å
C1FC1Gsing1.50Å1.56Å
C20C11sing1.52Å1.53Å
C6C5sing1.41Å1.38Å
C55C1Gsing1.53Å1.54Å
N24C1Ising1.47Å1.49Å
C38C37sing1.51Å1.50Å
C38N40sing1.35Å1.33Å
N21C11sing1.46Å1.50Å
N21C4sing1.37Å1.31Å
O33C32doub1.21Å1.21Å
C1GC1Hsing1.55Å1.55Å
C1GC54sing1.53Å1.56Å
C5C4doub1.35Å1.45Å
C5C35sing1.50Å1.53Å
C1LC2Ltrip1.17Å1.23Å
C11C1Ising1.52Å1.55Å
C11C2sing1.53Å1.59Å
C1HC1Ising1.53Å1.53Å
C1HC60sing1.52Å1.54Å
C4C3sing1.50Å1.52Å
O62C61doub1.21Å1.25Å
C30C3sing1.53Å1.55Å
C30C31sing1.53Å1.53Å
C32N34sing1.35Å1.33Å
C32C31sing1.51Å1.52Å
CC1doub1.32Å1.40ÅAromatic
CC8Lsing1.47Å1.42ÅAromatic
C1C12sing1.47Å1.40ÅAromatic
C2LC17sing1.43Å1.39Å
C3C2sing1.55Å1.56Å
C61C60sing1.51Å1.52Å
C61N63sing1.35Å1.32Å
C2C25sing1.52Å1.53Å
C2C26sing1.52Å1.56Å
C3LC8Ldoub1.31Å1.40ÅAromatic
C3LC4Lsing1.47Å1.40ÅAromatic
C8LC7Lsing1.47Å1.39ÅAromatic
C12C17doub1.31Å1.42ÅAromatic
C12C13sing1.47Å1.40ÅAromatic
C17C18sing1.47Å1.40ÅAromatic
C26C27sing1.51Å1.52Å
C4LC5Ldoub1.32Å1.36ÅAromatic
C7LC13doub1.31Å1.43ÅAromatic
C7LC6Lsing1.48Å1.37ÅAromatic
C13C16sing1.47Å1.40ÅAromatic
C18C19doub1.32Å1.39ÅAromatic
C27O28doub1.21Å1.26Å
C27N29sing1.35Å1.32Å
C5LC6Lsing1.47Å1.38ÅAromatic
C6LC14doub1.31Å1.41ÅAromatic
C16C19sing1.47Å1.40ÅAromatic
C16C15doub1.31Å1.40ÅAromatic
C14C15sing1.48Å1.40ÅAromatic
C3H2sing1.08Å1.10Å
C1H3sing1.08Å1.08Å
CH4sing1.08Å1.08Å
CB2H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C14H7sing1.08Å1.08Å
C15H8sing1.08Å1.08Å
C18H9sing1.08Å1.08Å
C19H10sing1.08Å1.08Å
C1CH12sing1.08Å1.10Å
C1HH14sing1.08Å1.10Å
C1IH15sing1.08Å1.10Å
C20H16sing1.09Å1.10Å
C20H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C25H19sing1.09Å1.10Å
C25H20sing1.09Å1.10Å
C25H21sing1.09Å1.10Å
C26H22sing1.09Å1.10Å
C26H23sing1.09Å1.10Å
C30H24sing1.09Å1.10Å
C30H25sing1.09Å1.10Å
C31H26sing1.09Å1.10Å
C31H27sing1.09Å1.10Å
C35H28sing1.09Å1.10Å
C35H29sing1.09Å1.10Å
C35H30sing1.09Å1.10Å
C36H31sing1.09Å1.10Å
C36H32sing1.09Å1.10Å
C36H33sing1.09Å1.10Å
C37H34sing1.09Å1.10Å
C37H35sing1.09Å1.10Å
C3LH36sing1.08Å1.08Å
C41H37sing1.09Å1.10Å
C41H38sing1.09Å1.10Å
C42H39sing1.09Å1.10Å
C42H40sing1.09Å1.10Å
C46H41sing1.09Å1.10Å
C46H42sing1.09Å1.10Å
C46H43sing1.09Å1.10Å
C47H44sing1.09Å1.10Å
C47H45sing1.09Å1.10Å
C47H46sing1.09Å1.10Å
C48H47sing1.09Å1.10Å
C48H48sing1.09Å1.10Å
C49H49sing1.09Å1.10Å
C49H50sing1.09Å1.10Å
C4LH51sing1.08Å1.08Å
C53H52sing1.09Å1.10Å
C53H53sing1.09Å1.10Å
C53H54sing1.09Å1.10Å
C54H55sing1.09Å1.10Å
C54H56sing1.09Å1.10Å
C54H57sing1.09Å1.10Å
C55H58sing1.09Å1.10Å
C55H59sing1.09Å1.10Å
C56H60sing1.09Å1.10Å
C56H61sing1.09Å1.10Å
C5LH62sing1.08Å1.08Å
C60H63sing1.09Å1.10Å
C60H64sing1.09Å1.10Å
C8H65sing1.09Å1.10Å
CB4H66sing1.08Å1.08Å
CB7H67sing1.08Å1.08Å
CR1H68sing1.09Å1.10Å
CR2H69sing1.09Å1.10Å
CR3H70sing1.09Å1.10Å
CR4H71sing1.09Å1.10Å
CR5H72sing1.09Å1.10Å
CR5H73sing1.09Å1.10Å
N29H74sing0.97Å1.00Å
N29H75sing0.97Å1.00Å
N34H76sing0.97Å1.00Å
N34H77sing0.97Å1.00Å
N40H78sing0.97Å1.00Å
N40H79sing0.97Å1.00Å
N45H80sing0.97Å1.00Å
N45H81sing0.97Å1.00Å
N52H82sing0.97Å1.00Å
N52H83sing0.97Å1.00Å
N59H84sing0.97Å1.00Å
N63H85sing0.97Å1.00Å
N63H86sing0.97Å1.00Å
OP5H87sing0.97Å0.95Å
CPR1H11sing1.09Å1.10Å
CPR1H13sing1.09Å1.10Å
CPR2H88sing1.09Å1.10Å
CPR3H91sing1.09Å1.10Å
CPR3H89sing1.09Å1.10Å
CPR3H90sing1.09Å1.10Å
OR8H1sing0.97Å0.95Å
OR7H92sing0.97Å0.95Å
CB11H95sing1.09Å1.10Å
CB11H93sing1.09Å1.10Å
CB11H94sing1.09Å1.10Å
CB10H96sing1.09Å1.10Å
CB10H98sing1.09Å1.10Å
CB10H97sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OR8CR5CR4112.9°109.4°
OR8CR5H72108.6°109.5°
OR8CR5H73108.6°109.5°
CR5OR8H1109.5°114.0°
CR5CR4OR6108.0°110.8°
CR5CR4CR3116.0°110.6°
CR5CR4H71109.0°110.5°
CR4CR5H72108.6°109.5°
CR4CR5H73108.6°109.5°
OP4P1OP5118.6°109.5°
OP4P1OP2108.1°109.4°
OP4P1OP3109.8°109.5°
O44C43N45121.2°120.0°
O44C43C42121.8°120.0°
CR4OR6CR1111.6°107.0°
OR6CR4CR3105.4°103.5°
OR6CR4H71109.6°110.7°
OR6CR1CR2105.1°107.3°
OR6CR1NB1110.2°109.9°
OR6CR1H68112.6°110.0°
CR4CR3CR2103.0°102.1°
CR4CR3OP2109.8°110.9°
CR4CR3H70109.9°110.9°
CR3CR4H71108.7°110.6°
CR2CR3OP2112.6°110.9°
CR3CR2CR1102.3°104.1°
CR3CR2OR7107.7°110.5°
CR3CR2H69111.2°110.6°
CR2CR3H70110.0°110.9°
CR3OP2P1120.3°123.0°
OP2CR3H70111.3°110.8°
C50C49C48110.3°109.5°
C49C50N52116.2°120.0°
C49C50O51119.2°120.0°
C50C49H49109.3°109.4°
C50C49H50109.3°109.5°
C49C48C1C118.1°109.5°
C49C48H47107.3°109.5°
C49C48H48107.3°109.4°
C48C49H49109.3°109.5°
C48C49H50109.3°109.5°
CR2CR1NB1106.1°109.9°
CR1CR2OR7112.1°110.5°
CR2CR1H68110.3°109.9°
CR1CR2H69110.6°110.5°
CR1NB1CB8127.0°126.3°
CR1NB1CB2125.0°126.4°
NB1CR1H68112.0°109.9°
OP5P1OP2112.3°109.5°
OP5P1OP3107.3°109.5°
P1OP5H87109.5°114.0°
OP2P1OP399.0°109.4°
P1OP3CPR2120.1°122.9°
N45C43C42117.0°120.0°
C43N45H80120.0°120.0°
C43N45H81120.0°120.0°
C43C42C41112.1°109.5°
C43C42H39108.8°109.4°
C43C42H40108.8°109.4°
CB11CB6CB7120.6°119.8°
CB11CB6CB5119.2°119.8°
CB6CB11H95109.5°109.4°
CB6CB11H93109.5°109.5°
CB6CB11H94109.5°109.4°
N52C50O51124.7°120.0°
C50N52H82120.0°120.0°
C50N52H83120.0°120.0°
CPR3CPR2OP3107.9°109.5°
CPR3CPR2CPR1111.5°109.4°
CPR3CPR2H88109.9°109.5°
CPR2CPR3H91109.5°109.5°
CPR2CPR3H89109.5°109.5°
CPR2CPR3H90109.5°109.5°
CB6CB7CB8118.6°119.7°
CB7CB6CB5120.2°120.4°
CB6CB7H67120.7°120.1°
CB7CB8NB1133.0°134.1°
CB7CB8CB9120.6°119.8°
CB8CB7H67120.7°120.2°
OR7CR2H69112.5°110.5°
CR2OR7H92109.5°114.0°
C47C1BC1C119.6°111.1°
C47C1BC1A113.7°110.4°
C47C1BC46105.6°110.6°
C1BC47H44109.5°109.5°
C1BC47H45109.5°109.4°
C1BC47H46109.5°109.5°
CB6CB5CB10121.1°119.7°
CB6CB5CB4119.7°120.7°
OP3CPR2CPR1107.3°109.4°
OP3CPR2H88110.6°109.5°
CPR2CPR1N59112.5°109.5°
CPR2CPR1H11108.7°109.5°
CPR2CPR1H13108.7°109.5°
CPR1CPR2H88109.6°109.5°
CB8NB1CB2107.8°107.3°
NB1CB8CB9106.3°106.0°
NB1CB2NB3110.1°110.1°
NB1CB2H5124.9°124.9°
C42C41C8115.9°109.5°
C42C41H37107.8°109.5°
C42C41H38107.8°109.5°
C41C42H39108.8°109.5°
C41C42H40108.8°109.5°
C48C1CC1B116.0°110.9°
C48C1CC1D107.2°110.4°
C48C1CH12110.4°110.9°
C1CC48H47107.3°109.5°
C1CC48H48107.3°109.5°
CB8CB9CB4121.1°119.5°
CB8CB9NB3107.8°107.0°
CB2NB3CB9108.0°109.6°
NB3CB2H5124.9°124.9°
CB10CB5CB4119.1°119.7°
CB5CB10H96109.5°109.5°
CB5CB10H98109.5°109.4°
CB5CB10H97109.5°109.5°
CB5CB4CB9119.5°119.9°
CB5CB4H66120.2°120.0°
C1CC1BC1A100.8°102.7°
C1CC1BC46111.3°111.3°
C1BC1CC1D102.0°102.4°
C1BC1CH12110.1°111.5°
C1AC1BC46105.1°110.5°
C1BC1AC10122.6°120.3°
C1BC1AN23112.6°112.3°
C1BC46H41109.5°109.5°
C1BC46H42109.4°109.5°
C1BC46H43109.5°109.5°
C1CC1DN23108.3°111.9°
C1CC1DC1E123.4°116.8°
C1DC1CH12110.7°110.5°
CB4CB9NB3131.0°133.6°
CB9CB4H66120.2°120.1°
C41C8C9107.4°110.6°
C41C8C7116.5°111.1°
C8C41H37107.9°109.5°
C8C41H38107.8°109.5°
C41C8H65110.4°111.0°
CPR1N59C57124.0°120.0°
CPR1N59H84118.0°120.0°
N59CPR1H11108.7°109.5°
N59CPR1H13108.7°109.5°
O58C57N59122.6°120.0°
O58C57C56120.9°120.0°
C1AC10C9126.1°120.7°
C10C1AN23124.8°127.3°
C1AC10H6117.0°119.5°
C10C9C8123.9°120.1°
C10C9N22126.4°127.2°
C9C10H6116.9°119.8°
C1AN23C1D109.9°110.2°
C1AN23CO1123.1°122.9°
N59C57C56116.5°120.0°
C57N59H84118.0°120.0°
C57C56C55110.7°109.4°
C57C56H60109.1°109.5°
C57C56H61109.2°109.4°
C9C8C7101.0°102.2°
C8C9N22109.2°112.7°
C9C8H65110.8°110.4°
C8C7C36110.6°111.1°
C8C7C699.4°103.0°
C8C7C37112.7°110.7°
C7C8H65110.3°111.2°
C9N22CO1121.4°122.7°
C9N22C6110.1°109.7°
N23C1DC1E125.9°131.2°
C1DN23CO1126.8°126.9°
C1DC1EC53117.3°121.6°
C1DC1EC1F120.9°116.5°
N23CO1N2297.3°97.9°
N23CO1N2490.0°86.4°
N23CO1N21173.7°161.8°
N23CO1C1L91.6°97.5°
C53C1EC1F120.2°121.9°
C1EC53H52109.5°109.5°
C1EC53H53109.5°109.5°
C1EC53H54109.5°109.5°
C56C55C1G111.3°109.5°
C56C55H58109.0°109.5°
C56C55H59109.0°109.5°
C55C56H60109.2°109.5°
C55C56H61109.2°109.4°
C1EC1FN24122.2°117.7°
C1EC1FC1G128.1°129.0°
CO1N22C6126.5°127.3°
N22CO1N24171.7°163.5°
N22CO1N2188.7°84.4°
N22CO1C1L88.0°97.7°
N22C6C7108.2°112.2°
N22C6C5122.9°131.9°
O39C38C37122.6°120.0°
O39C38N40121.6°120.0°
N24CO1N2184.1°86.8°
N24CO1C1L87.9°97.5°
CO1N24C1F133.4°141.0°
CO1N24C1I113.7°110.4°
N21CO1C1L90.4°100.2°
CO1N21C11116.6°112.2°
CO1N21C4130.8°140.8°
CO1C1LC2L163.4°180.0°
C36C7C6121.2°111.0°
C36C7C37110.1°110.7°
C7C36H31109.5°109.5°
C7C36H32109.5°109.5°
C7C36H33109.4°109.5°
C6C7C37102.4°110.2°
C7C6C5128.9°115.8°
C7C37C38114.9°109.5°
C7C37H34108.1°109.5°
C7C37H35108.1°109.5°
N24C1FC1G109.5°113.2°
C1FN24C1I112.1°108.5°
C1FC1GC55119.3°110.6°
C1FC1GC1H99.8°103.2°
C1FC1GC54107.8°110.6°
C20C11N21113.1°111.5°
C20C11C1I108.2°111.8°
C20C11C2113.3°111.3°
C11C20H16109.5°109.5°
C11C20H17109.5°109.4°
C11C20H18109.5°109.4°
C6C5C4120.3°116.1°
C6C5C35124.1°121.7°
C55C1GC1H107.2°110.7°
C55C1GC54110.8°110.8°
C1GC55H58109.0°109.5°
C1GC55H59109.0°109.4°
N24C1IC11107.2°102.3°
N24C1IC1H101.0°107.1°
N24C1IH15109.3°111.3°
C37C38N40115.8°120.0°
C38C37H34108.1°109.4°
C38C37H35108.1°109.5°
C38N40H78120.0°120.0°
C38N40H79120.0°120.0°
C11N21C4112.2°106.9°
N21C11C1I102.6°103.3°
N21C11C2100.8°106.7°
N21C4C5124.8°116.6°
N21C4C3112.6°112.4°
O33C32N34123.7°120.0°
O33C32C31120.0°120.0°
C1HC1GC54111.5°110.6°
C1GC1HC1I102.4°100.6°
C1GC1HC60112.1°110.8°
C1GC1HH14109.2°111.7°
C1GC54H55109.5°109.5°
C1GC54H56109.5°109.5°
C1GC54H57109.5°109.5°
C4C5C35113.8°122.1°
C5C4C3122.5°130.9°
C5C35H28109.5°109.5°
C5C35H29109.4°109.5°
C5C35H30109.5°109.5°
C1LC2LC17175.4°180.0°
C1IC11C2118.2°112.0°
C11C1IC1H121.3°111.8°
C11C1IH15108.5°112.4°
C11C2C3103.1°101.9°
C11C2C25112.4°110.4°
C11C2C26110.9°111.1°
C1IC1HC60114.0°110.7°
C1IC1HH14109.6°111.1°
C1HC1IH15108.8°111.4°
C1HC60C61113.0°109.5°
C60C1HH14109.3°111.4°
C1HC60H63108.6°109.5°
C1HC60H64108.6°109.4°
C4C3C30110.5°110.1°
C4C3C299.8°103.9°
C4C3H2109.3°110.9°
O62C61C60123.8°120.0°
O62C61N63122.4°120.0°
C3C30C31114.6°109.5°
C30C3C2118.9°110.1°
C30C3H2108.9°110.9°
C3C30H24108.2°109.5°
C3C30H25108.2°109.4°
C30C31C32111.5°109.5°
C31C30H24108.2°109.5°
C31C30H25108.2°109.5°
C30C31H26109.0°109.5°
C30C31H27109.0°109.4°
N34C32C31116.3°120.0°
C32N34H76120.0°120.0°
C32N34H77120.0°120.0°
C32C31H26108.9°109.5°
C32C31H27109.0°109.5°
C1CC8L120.6°120.3°
CC1C12120.9°120.2°
CC1H3119.6°119.9°
C1CH4119.7°119.8°
CC8LC3L120.1°121.8°
CC8LC7L118.9°119.1°
C8LCH4119.7°119.9°
C1C12C17122.8°121.7°
C1C12C13119.2°119.2°
C12C1H3119.6°119.9°
C2LC17C12121.0°119.0°
C2LC17C18119.2°119.0°
C3C2C25115.5°111.0°
C3C2C26106.1°111.1°
C2C3H2108.8°110.8°
C60C61N63113.9°120.0°
C61C60H63108.6°109.5°
C61C60H64108.6°109.5°
C61N63H85120.0°120.0°
C61N63H86120.0°120.0°
C25C2C26108.7°111.0°
C2C25H19109.5°109.5°
C2C25H20109.5°109.5°
C2C25H21109.5°109.4°
C2C26C27115.8°109.4°
C2C26H22107.9°109.4°
C2C26H23107.9°109.5°
C8LC3LC4L118.6°122.0°
C3LC8LC7L121.0°119.1°
C8LC3LH36120.7°119.0°
C3LC4LC5L120.8°122.8°
C4LC3LH36120.7°119.0°
C3LC4LH51119.6°118.6°
C8LC7LC13120.4°120.6°
C8LC7LC6L117.7°119.2°
C17C12C13118.0°119.1°
C12C17C18119.8°122.0°
C12C13C7L120.0°120.5°
C12C13C16122.2°119.2°
C17C18C19121.1°122.8°
C17C18H9119.5°118.6°
C26C27O28120.6°120.0°
C26C27N29117.6°119.9°
C27C26H22107.9°109.5°
C27C26H23107.9°109.5°
C4LC5LC6L119.0°119.4°
C5LC4LH51119.6°118.6°
C4LC5LH62120.5°120.3°
C13C7LC6L121.9°120.2°
C7LC13C16117.8°120.2°
C7LC6LC5L123.0°117.6°
C7LC6LC14119.0°119.8°
C13C16C19118.9°117.6°
C13C16C15120.6°119.8°
C18C19C16119.9°119.4°
C19C18H9119.4°118.7°
C18C19H10120.1°120.3°
O28C27N29121.8°120.1°
C27N29H74120.0°120.1°
C27N29H75120.0°120.0°
C5LC6LC14118.0°122.6°
C6LC5LH62120.5°120.3°
C6LC14C15120.7°120.0°
C6LC14H7119.6°120.0°
C19C16C15120.4°122.6°
C16C19H10120.1°120.3°
C16C15C14120.0°120.0°
C16C15H8120.0°120.0°
C15C14H7119.6°120.0°
C14C15H8120.0°120.0°
H16C20H17109.5°109.5°
H16C20H18109.5°109.5°
H17C20H18109.4°109.5°
H19C25H20109.4°109.4°
H19C25H21109.5°109.5°
H20C25H21109.5°109.5°
H22C26H23109.5°109.5°
H24C30H25109.4°109.5°
H26C31H27109.5°109.5°
H28C35H29109.5°109.5°
H28C35H30109.4°109.4°
H29C35H30109.5°109.5°
H31C36H32109.5°109.5°
H31C36H33109.5°109.5°
H32C36H33109.5°109.5°
H34C37H35109.5°109.5°
H37C41H38109.5°109.4°
H39C42H40109.5°109.4°
H41C46H42109.5°109.5°
H41C46H43109.5°109.4°
H42C46H43109.5°109.4°
H44C47H45109.4°109.5°
H44C47H46109.5°109.5°
H45C47H46109.5°109.5°
H47C48H48109.5°109.5°
H49C49H50109.5°109.5°
H52C53H53109.5°109.5°
H52C53H54109.5°109.5°
H53C53H54109.4°109.5°
H55C54H56109.5°109.5°
H55C54H57109.4°109.5°
H56C54H57109.5°109.5°
H58C55H59109.5°109.5°
H60C56H61109.5°109.6°
H63C60H64109.4°109.4°
H72CR5H73109.5°109.5°
H74N29H75120.0°120.0°
H76N34H77120.0°120.0°
H78N40H79120.0°119.9°
H80N45H81120.0°120.0°
H82N52H83120.0°120.0°
H85N63H86120.0°120.0°
H11CPR1H13109.5°109.5°
H91CPR3H89109.5°109.4°
H91CPR3H90109.5°109.5°
H89CPR3H90109.5°109.5°
H95CB11H93109.5°109.5°
H95CB11H94109.5°109.4°
H93CB11H94109.5°109.5°
H96CB10H98109.4°109.4°
H96CB10H97109.4°109.5°
H98CB10H97109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OR8CR5CR4H72120.5°120.0°
OR8CR5CR4H73120.5°119.9°
OR8CR5CR4OR668.5°69.2°
OR8CR5CR4CR3173.5°176.7°
OR8CR5CR4H7150.5°53.9°
OR8CR5H72H73118.4°120.0°
CR5CR4OR6CR3124.6°118.5°
CR5CR4OR6H71118.7°123.0°
CR5CR4OR6CR1132.2°158.6°
CR5CR4CR3H71123.2°122.8°
CR5CR4CR3CR2146.4°155.7°
CR5CR4CR3OP293.4°86.1°
CR5CR4CR3H7029.3°37.5°
CR4CR5H72H73118.5°120.0°
CR4CR5OR8H1180.0°172.0°
OP4P1OP2CR353.8°70.1°
OP4P1OP5OP2127.2°120.0°
OP4P1OP5OP3125.0°120.1°
OP4P1OP2OP3114.4°120.0°
OP4P1OP3CPR254.4°55.8°
OP4P1OP5H870.0°179.9°
O44C43N45C42179.9°180.0°
O44C43C42C41156.4°0.0°
O44C43C42H3936.0°120.0°
O44C43C42H4083.2°120.0°
O44C43N45H800.0°180.0°
O44C43N45H81180.0°0.0°
OR6CR4CR3H71117.4°118.6°
OR6CR4CR3CR227.0°37.0°
OR6CR4CR3OP2147.2°155.3°
CR4OR6CR1CR214.7°26.6°
CR4OR6CR1NB1128.6°92.9°
CR4OR6CR1H68105.5°146.0°
OR6CR4CR3H7090.1°81.2°
OR6CR4CR5H7252.0°170.8°
OR6CR4CR5H73171.0°50.7°
CR1OR6CR4CR37.6°40.1°
OR6CR1CR2CR331.0°2.1°
OR6CR1CR2NB1116.8°119.4°
OR6CR1CR2H68121.7°119.6°
OR6CR1NB1H68126.2°121.2°
OR6CR1CR2OR784.1°120.7°
OR6CR1NB1CB8154.1°157.2°
OR6CR1NB1CB231.1°22.6°
OR6CR1CR2H69149.5°116.7°
CR1OR6CR4H71109.2°78.4°
CR4CR3CR2OP2118.2°118.2°
CR4CR3CR2H70117.0°118.2°
CR4CR3OP2H70121.9°123.6°
CR4CR3CR2CR134.8°20.9°
CR4CR3OP2P1137.1°127.0°
CR4CR3CR2OR783.5°97.8°
CR4CR3CR2H69152.8°139.6°
CR3CR4CR5H7266.0°56.7°
CR3CR4CR5H7353.0°63.4°
CR2CR3OP2H70124.0°123.7°
CR3CR2CR1OR7115.1°118.6°
CR3CR2CR1H69118.5°118.8°
CR3CR2CR1NB1147.8°117.4°
CR2CR3OP2P1108.8°120.3°
CR3CR2OR7H69122.8°122.7°
CR3CR2CR1H6890.6°121.7°
CR2CR3CR4H7190.4°81.5°
CR3CR2OR7H92180.0°176.2°
OP2CR3CR2CR1153.0°139.1°
CR3OP2P1OP578.8°49.9°
CR3OP2P1OP3168.3°169.9°
OP2CR3CR2OR734.7°20.4°
OP2CR3CR2H6989.0°102.2°
OP2CR3CR4H7129.8°36.7°
C50C49C48H49120.1°120.0°
C50C49C48H50120.1°120.0°
C49C50N52O51178.9°179.9°
C50C49C48C1C40.4°177.4°
C50C49C48H47161.6°62.5°
C50C49C48H4880.9°57.5°
C50C49H49H50119.6°120.0°
C49C50N52H82179.0°5.1°
C49C50N52H831.1°175.0°
C48C49C50N52113.9°174.9°
C48C49C50O5167.1°5.0°
C49C48C1CH47121.2°120.0°
C49C48C1CH48121.2°119.9°
C49C48C1CC1B82.8°91.5°
C49C48C1CC1D164.0°155.7°
C49C48C1CH1243.3°32.9°
C49C48H47H48116.1°119.9°
C48C49H49H50119.6°120.0°
CR2CR1NB1H68120.4°121.0°
CR1CR2OR7H69125.4°122.6°
CR2CR1NB1CB892.6°85.0°
CR2CR1NB1CB282.2°95.3°
CR1CR2CR3H7082.3°97.3°
CR1CR2OR7H9268.2°61.5°
CR1NB1CB8CB74.9°0.3°
NB1CR1CR2OR732.7°1.2°
CR1NB1CB8CB2175.5°179.8°
CR1NB1CB8CB9177.2°179.8°
CR1NB1CB2NB3176.9°179.8°
CR1NB1CB2H53.1°0.2°
NB1CR1CR2H6993.7°123.8°
OP5P1OP2OP3113.0°120.0°
OP5P1OP3CPR2175.5°64.2°
OP2P1OP3CPR258.7°175.7°
P1OP2CR3H7015.3°3.4°
OP2P1OP5H87127.2°60.0°
P1OP3CPR2CPR3106.4°92.4°
P1OP3CPR2CPR1133.4°147.6°
OP3P1OP5H87125.0°60.0°
P1OP3CPR2H8813.9°27.7°
N45C43C42C4123.5°180.0°
N45C43C42H39143.9°60.0°
N45C43C42H4096.9°60.0°
C43N45H80H81179.9°179.9°
C43C42C41H39120.4°120.0°
C43C42C41H40120.4°120.0°
C43C42C41C8179.7°179.0°
C43C42C41H3758.7°59.0°
C43C42C41H3859.4°61.0°
C43C42H39H40118.7°119.9°
C42C43N45H80179.9°0.0°
C42C43N45H810.1°180.0°
CB11CB6CB7CB5179.2°179.9°
CB11CB6CB7CB8179.6°180.0°
CB11CB6CB5CB100.4°0.0°
CB11CB6CB5CB4179.1°179.9°
CB11CB6CB7H670.3°0.1°
CB6CB11H95H93120.0°120.0°
CB6CB11H95H94120.0°119.9°
CB6CB11H93H94120.0°120.0°
N52C50C49H496.2°65.1°
N52C50C49H50126.0°54.9°
C50N52H82H83180.0°180.0°
CPR3CPR2OP3CPR1120.2°120.0°
CPR3CPR2OP3H88120.3°120.1°
CPR3CPR2CPR1H88121.9°120.0°
CPR3CPR2CPR1N59177.8°175.8°
CPR3CPR2CPR1H1157.3°64.3°
CPR3CPR2CPR1H1361.8°55.8°
CPR2CPR3H91H89120.0°120.0°
CPR2CPR3H91H90120.0°120.0°
CPR2CPR3H89H90120.0°120.0°
O51C50C49H49172.7°115.0°
O51C50C49H5053.0°125.0°
O51C50N52H820.0°175.0°
O51C50N52H83180.0°5.0°
CB6CB7CB8H67180.0°179.9°
CB6CB7CB8NB1179.2°180.0°
CB6CB7CB8CB91.6°0.1°
CB7CB6CB5CB10179.7°180.0°
CB7CB6CB5CB41.7°0.0°
CB7CB6CB11H9590.4°90.1°
CB7CB6CB11H93149.6°30.0°
CB7CB6CB11H9429.6°150.0°
CB8CB7CB6CB51.1°0.1°
CB7CB8NB1CB9177.9°179.9°
CB7CB8NB1CB2179.5°179.9°
CB7CB8CB9CB42.7°0.1°
CB7CB8CB9NB3179.6°179.9°
OR7CR2CR1H68154.2°119.7°
OR7CR2CR3H70159.4°144.0°
C47C1BC1CC4832.8°2.8°
C47C1BC1CC1A125.4°118.0°
C47C1BC1CC46123.6°123.7°
C47C1BC1AC46115.0°122.7°
C47C1BC1CC1D148.9°120.6°
C47C1BC1AC1035.8°54.4°
C47C1BC1AN23147.1°124.4°
C47C1BC1CH1293.6°121.2°
C47C1BC46H41180.0°64.1°
C47C1BC46H4260.0°55.9°
C47C1BC46H4360.0°175.9°
C1BC47H44H45120.0°120.0°
C1BC47H44H46120.0°120.0°
C1BC47H45H46120.0°120.0°
CB6CB5CB10CB4178.7°180.0°
CB6CB5CB4CB92.7°0.0°
CB6CB5CB4H66177.4°179.9°
CB5CB6CB7H67178.9°180.0°
CB5CB6CB11H9590.4°90.0°
CB5CB6CB11H9329.6°150.0°
CB5CB6CB11H94149.6°30.0°
CB6CB5CB10H9689.3°90.0°
CB6CB5CB10H98150.7°30.0°
CB6CB5CB10H9730.7°150.0°
OP3CPR2CPR1H88120.2°120.0°
OP3CPR2CPR1N5959.8°55.8°
OP3CPR2CPR1H1160.6°175.8°
OP3CPR2CPR1H13179.7°64.2°
OP3CPR2CPR3H91180.0°60.1°
OP3CPR2CPR3H8960.0°180.0°
OP3CPR2CPR3H9060.0°60.0°
CPR2CPR1N59H11120.5°120.0°
CPR2CPR1N59H13120.4°120.0°
CPR2CPR1N59C5782.9°170.3°
CPR2CPR1N59H8497.1°9.6°
CPR2CPR1H11H13118.6°120.0°
CPR1CPR2CPR3H9162.4°180.0°
CPR1CPR2CPR3H8957.6°60.1°
CPR1CPR2CPR3H90177.6°60.0°
CB8NB1CB2NB31.3°0.0°
NB1CB8CB9CB4179.1°180.0°
NB1CB8CB9NB31.5°0.0°
CB8NB1CB2H5178.7°180.0°
NB1CB8CB7H670.8°0.1°
CB8NB1CR1H6827.9°36.0°
CB2NB1CB8CB91.7°0.0°
NB1CB2NB3H5180.0°180.0°
NB1CB2NB3CB90.4°0.0°
CB2NB1CR1H68157.4°143.7°
C42C41C8H37120.9°120.0°
C42C41C8H38120.9°120.0°
C42C41C8C950.8°65.4°
C42C41C8C7163.1°178.1°
C42C41H37H38117.1°120.0°
C41C42H39H40118.8°120.1°
C42C41C8H6570.1°57.6°
C48C1CC1BC1D116.1°117.8°
C48C1CC1BH12126.3°124.0°
C48C1CC1BC1A92.6°115.2°
C48C1CC1BC46156.3°126.6°
C48C1CC1DH12120.5°123.0°
C48C1CC1DN2398.8°119.2°
C48C1CC1DC1E64.7°58.0°
C1CC48H47H48116.1°120.0°
C1CC48C49H4979.8°57.5°
C1CC48C49H50160.5°62.6°
CB8CB9NB3CB20.7°0.0°
CB8CB9CB4CB53.2°0.0°
CB8CB9CB4NB3177.1°180.0°
CB8CB9CB4H66176.8°179.9°
CB9CB8CB7H67178.4°180.0°
CB2NB3CB9CB4178.1°180.0°
CB10CB5CB4CB9178.7°180.0°
CB10CB5CB4H661.3°0.1°
CB5CB10H96H98120.0°119.9°
CB5CB10H96H97120.0°120.0°
CB5CB10H98H97120.0°120.0°
CB5CB4CB9H66180.0°179.9°
CB5CB4CB9NB3179.7°180.0°
CB4CB5CB10H9689.4°90.0°
CB4CB5CB10H9830.6°150.0°
CB4CB5CB10H97150.6°30.0°
C1CC1BC1AC46115.8°118.8°
C1BC1CC1DH12117.2°118.8°
C1CC1BC1AC10165.1°172.9°
C1CC1BC1AN2317.9°5.8°
C1BC1CC1DN2323.6°1.1°
C1BC1CC1DC1E172.9°176.1°
C1CC1BC46H4148.8°59.9°
C1CC1BC46H4271.2°180.0°
C1CC1BC46H43168.8°60.0°
C1CC1BC47H44180.0°61.8°
C1CC1BC47H4560.0°178.2°
C1CC1BC47H4660.0°58.2°
C1BC1CC48H4738.4°148.5°
C1BC1CC48H48155.9°28.5°
C1AC1BC1CC1D23.5°2.6°
C1BC1AC10N23176.7°178.6°
C1BC1AC10C9167.5°175.4°
C1BC1AN23C1D3.5°6.9°
C1BC1AN23CO1171.0°174.5°
C1BC1AC10H612.6°6.0°
C1AC1BC1CH12141.1°120.8°
C1AC1BC46H4159.5°173.4°
C1AC1BC46H42179.5°66.6°
C1AC1BC46H4360.5°53.4°
C1AC1BC47H4461.0°51.4°
C1AC1BC47H45179.0°68.6°
C1AC1BC47H4659.0°171.5°
C46C1BC1CC1D87.5°115.6°
C46C1BC1AC1079.2°68.3°
C46C1BC1AN2397.9°113.0°
C46C1BC1CH1230.0°2.5°
C1BC46H41H42120.0°120.0°
C1BC46H41H43120.0°120.0°
C1BC46H42H43120.0°120.0°
C46C1BC47H4453.7°174.0°
C46C1BC47H4566.3°54.0°
C46C1BC47H46173.7°65.9°
C1CC1DN23C1A13.4°4.9°
C1CC1DN23C1E163.0°176.7°
C1CC1DN23CO1172.4°176.5°
C1CC1DC1EC5323.8°2.9°
C1CC1DC1EC1F170.7°176.9°
C1DC1CC48H4774.8°35.7°
C1DC1CC48H4842.7°84.3°
CB9NB3CB2H5179.6°180.0°
NB3CB9CB4H660.2°0.1°
C41C8C9C1095.8°65.1°
C41C8C9C7122.5°118.3°
C41C8C9H65120.6°123.3°
C41C8C7H65126.8°124.2°
C41C8C9N2291.3°117.4°
C41C8C7C3645.3°3.5°
C41C8C7C683.3°115.3°
C41C8C7C37169.0°126.9°
C8C41H37H38117.1°120.0°
C8C41C42H3959.9°59.1°
C8C41C42H4059.3°61.0°
CPR1N59C57O581.0°7.0°
CPR1N59C57H84180.0°179.9°
CPR1N59C57C56179.6°173.1°
N59CPR1H11H13118.6°120.0°
N59CPR1CPR2H8860.3°64.2°
O58C57N59C56179.4°179.9°
O58C57C56C5579.8°10.8°
O58C57C56H6040.4°109.2°
O58C57C56H61160.0°130.8°
O58C57N59H84179.0°173.1°
C1AC10C9H6180.0°178.5°
C1AC10C9C8170.0°178.3°
C1AC10C9N221.8°4.7°
C10C1AN23C1D179.6°171.8°
C10C1AN23CO16.0°6.8°
C9C10C1AN239.2°3.1°
C10C9C8N22173.0°177.4°
C10C9C8C7141.8°176.6°
C10C9N22CO17.3°4.0°
C10C9N22C6157.8°178.9°
C10C9C8H6524.9°58.1°
C1AN23C1DCO1174.2°178.6°
C1AN23C1DC1E176.4°171.7°
C1AN23CO1N221.7°11.8°
C1AN23CO1N24177.7°175.8°
C1AN23CO1N21161.8°107.7°
C1AN23CO1C1L89.8°87.1°
N23C1AC10H6170.8°175.4°
N59C57C56C5599.6°169.3°
N59C57C56H60140.2°70.7°
N59C57C56H6120.6°49.4°
C57N59CPR1H11156.6°50.3°
C57N59CPR1H1337.5°69.7°
C57C56C55H60120.2°120.0°
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C7LC6LC14H7179.5°180.0°
C7LC6LC5LH62178.9°179.8°
C13C16C19C181.5°0.0°
C13C16C19C15178.3°180.0°
C13C16C15C140.5°0.0°
C13C16C15H8179.5°180.0°
C13C16C19H10178.5°180.0°
C18C19C16H10180.0°180.0°
C18C19C16C15179.8°180.0°
O28C27C26H22121.6°120.0°
O28C27C26H233.4°120.0°
O28C27N29H740.0°180.0°
O28C27N29H75180.0°0.1°
N29C27C26H2257.8°60.1°
N29C27C26H23176.0°60.0°
C27N29H74H75180.0°179.9°
C5LC6LC14C15179.9°179.0°
C5LC6LC14H70.1°1.0°
C6LC5LC4LH51178.6°179.3°
C6LC14C15C160.1°0.0°
C6LC14C15H7180.0°180.0°
C6LC14C15H8179.9°179.9°
C14C6LC5LH621.7°0.8°
C19C16C15C14178.8°180.0°
C19C16C15H81.2°0.1°
C16C19C18H9178.7°180.0°
C16C15C14H8180.0°179.9°
C16C15C14H7179.9°180.0°
C15C16C19H100.2°0.0°
H2C3C30H2487.9°175.4°
H2C3C30H25153.6°64.6°
H3C1CH40.0°0.5°
H7C14C15H80.1°0.0°
H9C18C19H101.3°0.0°
H12C1CC48H47164.6°87.1°
H12C1CC48H4877.9°152.8°
H14C1HC1IH15166.8°146.3°
H14C1HC60H63109.5°173.8°
H14C1HC60H64131.5°66.3°
H16C20H17H18120.0°120.1°
H19C25H20H21120.0°120.0°
H24C30C31H26177.0°172.4°
H24C30C31H2763.6°52.4°
H25C30C31H2658.5°67.6°
H25C30C31H27177.9°172.4°
H28C35H29H30120.0°120.0°
H31C36H32H33120.0°120.0°
H36C3LC4LH510.6°0.0°
H37C41C42H39179.1°61.0°
H37C41C42H4061.6°179.0°
H37C41C8H6550.9°62.5°
H38C41C42H3961.0°179.1°
H38C41C42H40179.8°59.0°
H38C41C8H65169.0°177.6°
H41C46H42H43120.0°120.0°
H44C47H45H46120.0°120.0°
H47C48C49H4941.5°177.6°
H47C48C49H5078.3°57.5°
H48C48C49H49159.0°62.5°
H48C48C49H5039.2°177.5°
H51C4LC5LH621.4°0.0°
H52C53H53H54120.0°120.0°
H55C54H56H57120.0°120.0°
H58C55C56H60162.9°175.1°
H58C55C56H6143.2°55.0°
H59C55C56H6077.7°64.9°
H59C55C56H61162.6°175.0°
H68CR1CR2H6927.8°2.9°
H69CR2CR3H7035.8°21.4°
H69CR2OR7H9257.2°61.1°
H70CR3CR4H71152.5°160.3°
H71CR4CR5H72171.0°66.1°
H71CR4CR5H7370.0°173.8°
H72CR5OR8H159.5°68.0°
H73CR5OR8H159.5°52.0°
H84N59CPR1H1123.4°129.6°
H84N59CPR1H13142.5°110.4°
H11CPR1CPR2H88179.2°55.8°
H13CPR1CPR2H8860.1°175.8°
H88CPR2CPR3H9159.3°60.0°
H88CPR2CPR3H89179.3°59.9°
H88CPR2CPR3H9060.7°180.0°
H91CPR3H89H90120.0°120.0°
H95CB11H93H94120.0°120.0°
H96CB10H98H97119.9°120.0°

249697

PDB entries from 2026-02-25

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